5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine

C10H14N2S2 — CID 115921464

IUPAC5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine
SMILESCSc1ccc(NC2CCSC2)nc1
InChIInChI=1S/C10H14N2S2/c1-13-9-2-3-10(11-6-9)12-8-4-5-14-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeyAZTLOCFHHHEDLW-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.72
Rot. Bonds3

About 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine

5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 115921464) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID115921464
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine
SMILESCSc1ccc(NC2CCSC2)nc1
InChIInChI=1S/C10H14N2S2/c1-13-9-2-3-10(11-6-9)12-8-4-5-14-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeyAZTLOCFHHHEDLW-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine (CID 115921464) is 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine is CSc1ccc(NC2CCSC2)nc1.
What is the InChIKey of 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is AZTLOCFHHHEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-13-9-2-3-10(11-6-9)12-8-4-5-14-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,12).
What are the key properties of 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine?
5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 226.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 115921464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).